3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | K261-2741 |
| Compound Name: | 3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCc1cc(C=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0833 |
| logD: | 4.0833 |
| logSw: | -4.0752 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.753 |
| InChI Key: | PYWLCZNHOVMBNA-UHFFFAOYSA-N |